Information card for entry 7020515

Structure parameters

• Formula: C17 H28 P2 Si Zr
• Calculated formula: C17 H28 P2 Si Zr
• SMILES: [Zr]123456789([P]=C1[Si](C)(C)C)([P](C)(C)C)([cH]1[cH]5[cH]4[cH]3[cH]21)[cH]1[cH]6[cH]7[cH]8[cH]91
• Title of publication: Coordination chemistry of trimethylsilylphosphaalkyne: a phosphaalkyne bearing a reactive substituent.
• Authors of publication: Mansell, Stephen M.; Green, Michael; Russell, Christopher A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 47
• Pages of publication: 14360 - 14368
• a: 14.7244 ± 0.0003 Å
• b: 10.5735 ± 0.0002 Å
• c: 26.3663 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4104.93 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No